1-indol-1-yl-3-piperidin-1-ylpropan-2-ol

C16H22N2O — CID 2967568

IUPAC1-indol-1-yl-3-piperidin-1-ylpropan-2-ol
SMILESOC(CN1CCCCC1)Cn1ccc2ccccc21
InChIInChI=1S/C16H22N2O/c19-15(12-17-9-4-1-5-10-17)13-18-11-8-14-6-2-3-7-16(14)18/h2-3,6-8,11,15,19H,1,4-5,9-10,12-13H2
InChIKeyDRPMXMKHTQPLCR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.49
Rot. Bonds4

About 1-indol-1-yl-3-piperidin-1-ylpropan-2-ol

1-indol-1-yl-3-piperidin-1-ylpropan-2-ol (PubChem CID 2967568) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-indol-1-yl-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-indol-1-yl-3-piperidin-1-ylpropan-2-ol
PubChem CID2967568
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-indol-1-yl-3-piperidin-1-ylpropan-2-ol
SMILESOC(CN1CCCCC1)Cn1ccc2ccccc21
InChIInChI=1S/C16H22N2O/c19-15(12-17-9-4-1-5-10-17)13-18-11-8-14-6-2-3-7-16(14)18/h2-3,6-8,11,15,19H,1,4-5,9-10,12-13H2
InChIKeyDRPMXMKHTQPLCR-UHFFFAOYSA-N
XLogP2.49
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-indol-1-yl-3-piperidin-1-ylpropan-2-ol (CID 2967568) is 1-indol-1-yl-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-indol-1-yl-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-indol-1-yl-3-piperidin-1-ylpropan-2-ol is OC(CN1CCCCC1)Cn1ccc2ccccc21.
What is the InChIKey of 1-indol-1-yl-3-piperidin-1-ylpropan-2-ol?
The InChIKey is DRPMXMKHTQPLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-15(12-17-9-4-1-5-10-17)13-18-11-8-14-6-2-3-7-16(14)18/h2-3,6-8,11,15,19H,1,4-5,9-10,12-13H2.
What are the key properties of 1-indol-1-yl-3-piperidin-1-ylpropan-2-ol?
1-indol-1-yl-3-piperidin-1-ylpropan-2-ol has a molecular weight of 258.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 2967568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).